⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13924418 | 0.82 | — | — | |
| SCHEMBL14049964 | 0.80 | — | — | |
| SCHEMBL13079254 | 0.78 | — | — | |
| SCHEMBL2058518 | 0.76 | — | — | |
| SCHEMBL13924419 | 0.76 | — | — | |
| SCHEMBL19608593 | 0.76 | — | — | |
| SCHEMBL16181660 | 0.76 | — | — | |
| SCHEMBL16511730 | 0.71 | — | — | |
| SCHEMBL13657508 | 0.71 | — | — | |
| SCHEMBL2871353 | 0.69 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9701992-B2 | Metabolically engineered organisms for the production of added value bio-products | UNIVERSITEIT GENT (BE) | 2017-07-11 | — | — | US | disclosed |
| US-20150250738-A1 | TRANSDERMAL DELIVERY SYSTEMS | DURECT CORPORATION | 2015-09-10 | — | — | US | disclosed |